3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide

C9H15F3N2O2 — CID 115519322

IUPAC3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCCCC(F)(F)F)CCOC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-4-14-7(15)8(13)3-5-16-6-8/h1-6,13H2,(H,14,15)
InChIKeyKSPPAMPHPZWGQK-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.56
Rot. Bonds4

About 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide

3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide (PubChem CID 115519322) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
PubChem CID115519322
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCCCC(F)(F)F)CCOC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-4-14-7(15)8(13)3-5-16-6-8/h1-6,13H2,(H,14,15)
InChIKeyKSPPAMPHPZWGQK-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116579702
4-amino-N-butyloxane-4-carboxamide
CID 115293500
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 64891038
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide (CID 115519322) is 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide is NC1(C(=O)NCCCC(F)(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide?
The InChIKey is KSPPAMPHPZWGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-4-14-7(15)8(13)3-5-16-6-8/h1-6,13H2,(H,14,15).
What are the key properties of 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide?
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide is sourced from PubChem (CID 115519322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).